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Ligand · IC6

IC6 · (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid

IC6, (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid (C18 H23 N3 O3, 329.4 g/mol), in the MolNFT structures on GenesisL1: bound in 14 records (13 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
IC6
Formula
C18 H23 N3 O3
Class
ligand
Structures
14
PDB entries
13

Binding sites

IC6 in 14 structures; the first of them:

  • 7EGN · Crystal structure of the P450 BM3 heme domain mutant F87A in complex with… · IC6 A502 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, GLN73, ALA74 and 8 more
  • 7WDD · Crystal structure of the P450 BM3 heme domain mutant F87K in complex with… · IC6 A503 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, LEU75 and 11 more
  • 7WDE · Crystal structure of the P450 BM3 heme domain mutant F87L in complex with… · IC6 A502 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, LEU75 and 10 more
  • 7WDG · Crystal structure of the P450 BM3 heme domain mutant F87L in complex with… · IC6 A504 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, LEU75 and 9 more
  • 7WDH · Crystal structure of the P450 BM3 heme domain mutant F87A in complex with… · IC6 A503 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, LEU75 and 8 more
  • 7WDI · Crystal structure of the P450 BM3 heme domain mutant F87K in complex with… · IC6 A502 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, LEU75 and 10 more
  • 7Y0P · Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex… · IC6 B503 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, LEU75 and 10 more
  • 7Y0R · Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with… · IC6 A503 · binds LEU20, PRO25, VAL26, LEU29, TYR51, ALA74, LEU75, LEU87 and 9 more
  • 7YD9 · Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex… · IC6 A502 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, LEU75 and 12 more
  • 7YDE · Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with… · IC6 A503 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, THR87 and 8 more
  • 7YDL · Crystal structure of the P450 BM3 heme domain mutant F87A/T268I/A184V/A82T in complex… · IC6 A502 · binds SER72, ALA74, LEU75, VAL78, ALA87, ALA264, ILE268, ALA328 and 4 more
  • 7YJD · Crystal structure of the P450 BM3 heme domain mutant F87A in complex with… · IC6 A503 · binds LEU20, PRO25, VAL26, LEU29, TYR51, SER72, ALA74, LEU75 and 8 more

Residues it binds most

LEU 44, ALA 44, THR 37, MET 44, PRO 32, SER 43, TYR 42, VAL 30, GLN 17, ARG 16 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • HOA · Hydroxyamine
  • GOL · Glycerol
  • IPH · Phenol
  • SYN · ethenylbenzene
  • 4MN · 4-methylaniline
  • MBN · Toluene
  • PCR · P-cresol
  • ACT · Acetate ion

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